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Methyl 2-chlorobenzo[d]oxazole-4-carboxylate - 95%, high purity , CAS No.1007112-35-7

COA

Grade & Purity:

≥95%

Cas Number: 1007112-35-7
Molecular Weight: 211.6
PubChem CID: 56924368

In stock

Item Number

M178715

Grouped product items
SKU	Size	Availability	Price	Qty
M178715-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,941.90
M178715-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,202.90

Discover Methyl 2-chlorobenzo[d]oxazole-4-carboxylate by Aladdin Scientific in 95% for only $1,941.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 2-chlorobenzo[d]oxazole-4-carboxylate \| 1007112-35-7 \| methyl 2-chloro-1,3-benzoxazole-4-carboxylate \| methyl 2-chlorobenzoxazole-4-carboxylate \| 2-chloro-benzooxazole-4-carboxylic acid methyl ester \| SCHEMBL1005898 \| DTXSID10718826 \| QXOMDXKTDOJUPP-UHFFFAOYSA-N
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazoles
Alternative Parents	Benzenoids Aryl chlorides Oxazoles Methyl esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 2-chloro-1,3-benzoxazole-4-carboxylate
INCHI	InChI=1S/C9H6ClNO3/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3
InChIKey	QXOMDXKTDOJUPP-UHFFFAOYSA-N
Smiles	COC(=O)C1=C2C(=CC=C1)OC(=N2)Cl
Isomeric SMILES	COC(=O)C1=C2C(=CC=C1)OC(=N2)Cl
Molecular Weight	211.6
Reaxy-Rn	15476076
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15476076&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.600 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	211.004 Da
Monoisotopic Mass	211.004 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	236.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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